3-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]-methylamino]-N,2-dimethylpropanamide

C12H23N3O4S — CID 106915347

IUPAC3-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)C(=O)CC1CS(=O)(=O)CCN1
InChIInChI=1S/C12H23N3O4S/c1-9(12(17)13-2)7-15(3)11(16)6-10-8-20(18,19)5-4-14-10/h9-10,14H,4-8H2,1-3H3,(H,13,17)
InChIKeyNUANUXUINGBQIA-UHFFFAOYSA-N
MW305.40 g/mol
LogP-1.40
Rot. Bonds5

About 3-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]-methylamino]-N,2-dimethylpropanamide

3-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]-methylamino]-N,2-dimethylpropanamide (PubChem CID 106915347) has the molecular formula C12H23N3O4S and a molecular weight of 305.40 g/mol. Its IUPAC name is 3-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]-methylamino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]-methylamino]-N,2-dimethylpropanamide
PubChem CID106915347
Molecular FormulaC12H23N3O4S
Molecular Weight305.40 g/mol
Exact Mass305.14
IUPAC Name3-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)C(=O)CC1CS(=O)(=O)CCN1
InChIInChI=1S/C12H23N3O4S/c1-9(12(17)13-2)7-15(3)11(16)6-10-8-20(18,19)5-4-14-10/h9-10,14H,4-8H2,1-3H3,(H,13,17)
InChIKeyNUANUXUINGBQIA-UHFFFAOYSA-N
XLogP-1.40
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 5-1.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]-methylamino]-N,2-dimethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,2-dimethyl-3-[methyl-(2-thiomorpholin-3-ylacetyl)amino]propanamide;hydrochloride
CID 119940447
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methoxy-N-methylacetamide
CID 80520093
2-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]-propan-2-ylamino]acetic acid
CID 80520157
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 80519802
2-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]-N,N-dimethylpropanamide
CID 80519954
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(4-hydroxyphenyl)methyl]-N-methylacetamide
CID 80516039
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
CID 80520145
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(pyridin-4-ylmethyl)acetamide
CID 80519990
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide
CID 80522002
2-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]-ethylamino]-2-methylpropanoic acid
CID 80520889
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(oxan-2-ylmethyl)acetamide
CID 80520161
N-butan-2-yl-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80520375

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]-methylamino]-N,2-dimethylpropanamide?
The IUPAC name of 3-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]-methylamino]-N,2-dimethylpropanamide (CID 106915347) is 3-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]-methylamino]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]-methylamino]-N,2-dimethylpropanamide?
The canonical SMILES for 3-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]-methylamino]-N,2-dimethylpropanamide is CNC(=O)C(C)CN(C)C(=O)CC1CS(=O)(=O)CCN1.
What is the InChIKey of 3-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]-methylamino]-N,2-dimethylpropanamide?
The InChIKey is NUANUXUINGBQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4S/c1-9(12(17)13-2)7-15(3)11(16)6-10-8-20(18,19)5-4-14-10/h9-10,14H,4-8H2,1-3H3,(H,13,17).
What are the key properties of 3-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]-methylamino]-N,2-dimethylpropanamide?
3-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]-methylamino]-N,2-dimethylpropanamide has a molecular weight of 305.40 g/mol, XLogP of -1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]-methylamino]-N,2-dimethylpropanamide is sourced from PubChem (CID 106915347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).